CID 22594207

252061-66-8

Structural Information

Molecular Formula
C8H7NO2
SMILES
C1C2=C(C=CC(=C2)O)C(=O)N1
InChI
InChI=1S/C8H7NO2/c10-6-1-2-7-5(3-6)4-9-8(7)11/h1-3,10H,4H2,(H,9,11)
InChIKey
NLNNRNIJRFYGFB-UHFFFAOYSA-N
Compound name
5-hydroxy-2,3-dihydroisoindol-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

181
Patents

149.04768 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 150.05496 127.4
[M+Na]+ 172.03690 136.9
[M-H]- 148.04040 128.5
[M+NH4]+ 167.08150 149.1
[M+K]+ 188.01084 133.3
[M+H-H2O]+ 132.04494 122.3
[M+HCOO]- 194.04588 147.9
[M+CH3COO]- 208.06153 168.9
[M+Na-2H]- 170.02235 133.6
[M]+ 149.04713 124.8
[M]- 149.04823 124.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe